Molecule card · MolClass #50268
22401113
22401113: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 22401113Mitochondrial Fusion · compound_name
- MolClass ID
- 50268
- InChIKey
- SINQWQGSNLHLHG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc2ccc3CCCc3(c2)
- Standard InChI
- InChI=1S/C18H21NO2S/c1-12-9-13(2)18(14(3)10-12)22(20,21)19-17-8-7-15-5-4-6-16(15)11-17/h7-11,19H,4-6H2,1-3H3
- Stored Murcko scaffold
- S(Nc1ccc2c(c1)CCC2)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.497
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 22401113